Molecule ID: mol36282
SMILES: O=C1CN=C(c2ccccc2C(F)(F)F)c2ccccc2N1
InChI: InChI=1S/C16H11F3N2O/c17-16(18,19)12-7-3-1-5-10(12)15-11-6-2-4-8-13(11)21-14(22)9-20-15/h1-8H,9H2,(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.39 | QSARToolbox | 1 » 0 |
| 12.24 | QSARToolbox | 0 » -1 |